tert-butyl 4-[2-[[(6E)-2-azanyl-6-[3-[(2-fluoranyl-4-methyl-phenyl)-methyl-amino]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-1H-pyridin-3-yl]methylamino]-2-oxidanylidene-ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[[(6E)-2-azanyl-6-[3-[(2-fluoranyl-4-methyl-phenyl)-methyl-amino]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-1H-pyridin-3-yl]methylamino]-2-oxidanylidene-ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[[(6E)-2-amino-6-[3-(2-fluoro-N,4-dimethyl-anilino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-1H-pyridin-3-yl]methylamino]-2-oxo-ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[[(6E)-2-amino-6-[3-(2-fluoro-N,4-dimethylanilino)-6-oxo-1-cyclohexa-2,4-dienylidene]-1H-pyridin-3-yl]methylamino]-2-oxoethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[[(6E)-2-amino-6-[3-(2-fluoro-N,4-dimethylanilino)-6-oxocyclohexa-2,4-dien-1-ylidene]-1H-pyridin-3-yl]methylamino]-2-oxoethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[[(6E)-2-amino-6-[3-(2-fluoro-N,4-dimethyl-anilino)-6-keto-cyclohexa-2,4-dien-1-ylidene]-1H-pyridin-3-yl]methylamino]-2-keto-ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C32H40FN5O4 MolecularWeight: 577.689503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C2=CC(=C3C=CC(=C(N3)N)CNC(=O)CC4CCN(CC4)C(=O)OC(C)(C)C)C(=O)C=C2)F

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C2=C/C(=C\3/C=CC(=C(N3)N)CNC(=O)CC4CCN(CC4)C(=O)OC(C)(C)C)/C(=O)C=C2)F

InChI

InChI=1S/C32H40FN5O4/c1-20-6-10-27(25(33)16-20)37(5)23-8-11-28(39)24(18-23)26-9-7-22(30(34)36-26)19-35-29(40)17-21-12-14-38(15-13-21)31(41)42-32(2,3)4/h6-11,16,18,21,36H,12-15,17,19,34H2,1-5H3,(H,35,40)/b26-24+